REMARK  Name = BDB033835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.064   1.126  -0.098  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        2.558   2.395   0.256  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        3.947   2.502   0.316  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        4.447   3.746   0.673  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        3.712   4.855   0.953  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        2.378   4.723   0.862  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        4.773   1.481   0.046  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        4.211   0.316  -0.311  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        1.761   3.534   0.521  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        2.888   0.104  -0.394  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     11  N   LIG    1       -3.898  -1.200  -0.055  0.00  0.00    -0.299 NA
ATOM     12  C   LIG    1       -3.007  -0.413   0.799  0.00  0.00    +0.091 C 
ATOM     13  C   LIG    1       -1.624  -0.931   0.374  0.00  0.00    -0.013 C 
ATOM     14  C   LIG    1       -1.233  -0.355  -1.018  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        0.274  -0.127  -1.117  0.00  0.00    +0.107 C 
ATOM     16  N   LIG    1        0.669   0.895  -0.134  0.00  0.00    -0.315 N 
ATOM     17  C   LIG    1        0.089   0.753   1.216  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1       -0.535  -0.626   1.421  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -1.895  -2.446   0.281  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1       -3.395  -2.577   0.009  0.00  0.00    +0.085 C 
BRANCH  11  21
ATOM     21  C   LIG    1       -5.313  -1.113   0.325  0.00  0.00    +0.115 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.918   0.704  -1.363  0.00  0.00    +0.039 C 
ATOM     23  C   LIG    1       -5.954   0.274   0.099  0.00  0.00    +0.125 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -7.316   0.219   0.532  0.00  0.00    -0.391 OA
ATOM     25  H   LIG    1       -7.711   1.091   0.359  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  11  21
ENDBRANCH   1  16
BRANCH   8  26
ATOM     26  C   LIG    1        5.106  -0.813  -0.625  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.601  -2.069  -0.997  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        5.481  -3.102  -1.283  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1        6.822  -2.981  -1.227  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        7.303  -1.774  -0.871  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        6.502  -0.683  -0.567  0.00  0.00    +0.031 A 
ENDBRANCH   8  26
TORSDOF 5